CID 58717049

4,6-dichloro-3-methylpyridazine

Structural Information

Molecular Formula
C5H4Cl2N2
SMILES
CC1=NN=C(C=C1Cl)Cl
InChI
InChI=1S/C5H4Cl2N2/c1-3-4(6)2-5(7)9-8-3/h2H,1H3
InChIKey
SWLRTVHQASOVRZ-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-methylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

161.97516 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.98244 124.6
[M+Na]+ 184.96438 136.4
[M-H]- 160.96788 125.2
[M+NH4]+ 180.00898 144.3
[M+K]+ 200.93832 132.1
[M+H-H2O]+ 144.97242 119.3
[M+HCOO]- 206.97336 137.8
[M+CH3COO]- 220.98901 175.7
[M+Na-2H]- 182.94983 132.3
[M]+ 161.97461 127.2
[M]- 161.97571 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe